Reaction Details Report a problem with these data
Target
Gastrin/cholecystokinin type B receptor
Ligand
BDBM50230685
Substrate
n/a
Meas. Tech.
ChEMBL_48424 (CHEMBL660352)
Ki
977±n/a nM
Citation
 Higginbottom, M; Kneen, C; Ratcliffe, GS Rationally designed"dipeptoid" analogues of CCK. A Free-Wilson/Fujita-Ban analysis of some alpha-methyltryptophan derivatives as CCK-B antagonists. J Med Chem 35:1572-7 (1992) [PubMed]  Article 
Target
Name:
Gastrin/cholecystokinin type B receptor
Synonyms:
Cckbr | Cholecystokinin A | Cholecystokinin receptor | GASR_MOUSE | Gastrin/cholecystokinin type B receptor
Type:
Enzyme Catalytic Domain
Mol. Mass.:
49196.59
Organism:
MOUSE
Description:
Cholecystokinin A CCKBR MOUSE::P56481
Residue:
453
Sequence:
MDLLKLNRSLQGPGPGSGSSLCRPGVSLLNSSSAGNLSCETPRIRGTGTRELELTIRITLYAVIFLMSVGGNVLIIVVLGLSRRLRTVTNAFLLSLAVSDLLLAVACMPFTLLPNLMGTFIFGTVICKAVSYLMGVSVSVSTLNLAAIALERYSAICRPLQARVWQTRSHAARVILATWLLSGLLMVPYPVYTVVQPVGPRILQCMHLWPSERVQQMWSVLLLILLFFIPGVVMAVAYGLISRELYLGLRFDGDNDSETQSRVRNQGGLPGGAAAPGPVHQNGGCRHVTSLTGEDSDGCYVQLPRSRLEMTTLTTPTTGPGPGPRPNQAKLLAKKRVVRMLLVIVLLFFVCWLPVYSANTWRAFDGPGARRALAGAPISFIHLLSYTSACANPLVYCFMHRRFRQACLDTCARCCPRPPRARPRPLPDEDPPTPSIASLSRLSYTTISTLGPG
  
Inhibitor
Name:
BDBM50230685
Synonyms:
CHEMBL3350356
Type:
Small organic molecule
Emp. Form.:
C34H40N4O6
Mol. Mass.:
600.7046
SMILES:
OC(=O)CCC(=O)N[C@@H](CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC1C2CC3CC(C2)CC1C3)c1ccccc1 |r,wD:13.13,8.42,TLB:37:36:34:31.30.32,THB:37:31:34:28.36.35,27:28:34:31.30.32,32:33:28:31.30.37,32:31:28:33.34.35,(-17.54,.75,;-17.9,2.25,;-19.38,2.68,;-16.79,3.31,;-15.31,2.88,;-14.2,3.94,;-14.56,5.44,;-12.72,3.51,;-11.61,4.57,;-10.13,4.14,;-9.01,5.2,;-7.54,4.77,;-7.17,3.27,;-6.42,5.83,;-6.3,7.37,;-7.58,8.24,;-9.03,7.72,;-9.97,8.94,;-9.1,10.21,;-9.46,11.71,;-8.35,12.77,;-6.87,12.34,;-6.51,10.84,;-7.62,9.78,;-4.94,5.4,;-3.83,6.46,;-4.19,7.96,;-2.35,6.03,;-1.24,7.09,;.14,7.79,;.14,9.18,;.97,10.66,;2.35,9.96,;2.35,8.57,;1.51,7.09,;.97,7.87,;-.4,8.57,;-.4,9.96,;-11.97,6.07,;-13.45,6.5,;-13.81,8,;-12.7,9.06,;-11.22,8.63,;-10.85,7.13,)|
Structure:
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